2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C25H25FN5O2+ MolecularWeight: 446.496703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H24FN5O2/c26-18-6-11-24-23(16-18)28-29-31(24)20-12-14-30(15-13-20)17-25(32)27-19-7-9-22(10-8-19)33-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17H2,(H,27,32)/p+1